U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H13ClO4
Molecular Weight 244.672
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-CHLORO-2,5-DIMETHYL-6-HYDROXY-P-ANISATE

SMILES

COC(=O)C1=C(C)C(Cl)=C(OC)C(C)=C1O

InChI

InChIKey=ALHKAHMAUJFZGF-UHFFFAOYSA-N
InChI=1S/C11H13ClO4/c1-5-7(11(14)16-4)9(13)6(2)10(15-3)8(5)12/h13H,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
METHYL 3-CHLORO-2,5-DIMETHYL-6-HYDROXY-P-ANISATE
Common Name English
BENZOIC ACID, 3-CHLORO-6-HYDROXY-4-METHOXY-2,5-DIMETHYL-, METHYL ESTER
Preferred Name English
METHYL 3-CHLORO-6-HYDROXY-4-METHOXY-2,5-DIMETHYLBENZOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
56842385
Created by admin on Wed Apr 02 12:34:03 GMT 2025 , Edited by admin on Wed Apr 02 12:34:03 GMT 2025
PRIMARY
FDA UNII
XLB6Y9C47T
Created by admin on Wed Apr 02 12:34:03 GMT 2025 , Edited by admin on Wed Apr 02 12:34:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID00234202
Created by admin on Wed Apr 02 12:34:03 GMT 2025 , Edited by admin on Wed Apr 02 12:34:03 GMT 2025
PRIMARY
ECHA (EC/EINECS)
285-447-1
Created by admin on Wed Apr 02 12:34:03 GMT 2025 , Edited by admin on Wed Apr 02 12:34:03 GMT 2025
PRIMARY
CAS
85098-93-7
Created by admin on Wed Apr 02 12:34:03 GMT 2025 , Edited by admin on Wed Apr 02 12:34:03 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966